2-pyrrolidin-3-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene

C14H16N2 — CID 84621734

IUPAC2-pyrrolidin-3-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene
SMILESc1cc2c3c(c1)c(C1CCNC1)cn3CC2
InChIInChI=1S/C14H16N2/c1-2-10-5-7-16-9-13(11-4-6-15-8-11)12(3-1)14(10)16/h1-3,9,11,15H,4-8H2
InChIKeyKEICVTGHJUPFAK-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.27
Rot. Bonds1

About 2-pyrrolidin-3-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene

2-pyrrolidin-3-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene (PubChem CID 84621734) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene
PubChem CID84621734
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-pyrrolidin-3-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene
SMILESc1cc2c3c(c1)c(C1CCNC1)cn3CC2
InChIInChI=1S/C14H16N2/c1-2-10-5-7-16-9-13(11-4-6-15-8-11)12(3-1)14(10)16/h1-3,9,11,15H,4-8H2
InChIKeyKEICVTGHJUPFAK-UHFFFAOYSA-N
XLogP2.27
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(2-thiophen-3-ylpyrrolidin-3-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
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CID 70971659
2-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)-2-oxoacetic acid
CID 22556838
(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine
CID 131096637
2-chloro-6-pyrrolidin-3-ylaniline
CID 117103718
(3R)-3-(1-benzofuran-3-yl)pyrrolidine
CID 96625875
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CID 117103712
3-(1-piperidin-4-yltetrazol-5-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride
CID 67250176
1-[1-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)cyclopropyl]-N-methylmethanamine
CID 84625165
2-methyl-8-piperidin-4-yl-3,4-dihydro-1H-isoquinoline
CID 58777938

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene?
The IUPAC name of 2-pyrrolidin-3-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene (CID 84621734) is 2-pyrrolidin-3-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene.
What is the SMILES notation for 2-pyrrolidin-3-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene?
The canonical SMILES for 2-pyrrolidin-3-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene is c1cc2c3c(c1)c(C1CCNC1)cn3CC2.
What is the InChIKey of 2-pyrrolidin-3-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene?
The InChIKey is KEICVTGHJUPFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-10-5-7-16-9-13(11-4-6-15-8-11)12(3-1)14(10)16/h1-3,9,11,15H,4-8H2.
What are the key properties of 2-pyrrolidin-3-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene?
2-pyrrolidin-3-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene has a molecular weight of 212.30 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene is sourced from PubChem (CID 84621734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).